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Details

Stereochemistry ACHIRAL
Molecular Formula C10H13NO6S
Molecular Weight 275.278
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-METHYL-2-NITROPHENOXY)PROPANESULPHONIC ACID

SMILES

CC1=CC=C(OCCCS(O)(=O)=O)C(=C1)[N+]([O-])=O

InChI

InChIKey=USOXFCZQOCMJEH-UHFFFAOYSA-N
InChI=1S/C10H13NO6S/c1-8-3-4-10(9(7-8)11(12)13)17-5-2-6-18(14,15)16/h3-4,7H,2,5-6H2,1H3,(H,14,15,16)

HIDE SMILES / InChI

Molecular Formula C10H13NO6S
Molecular Weight 275.278
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:07:45 GMT 2023
Edited
by admin
on Sat Dec 16 19:07:45 GMT 2023
Record UNII
CYJ7HC7LTE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(4-METHYL-2-NITROPHENOXY)PROPANESULPHONIC ACID
Systematic Name English
3-(4-METHYL-2-NITROPHENOXY)-1-PROPANESULFONIC ACID
Systematic Name English
1-PROPANESULFONIC ACID, 3-(4-METHYL-2-NITROPHENOXY)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60100076
Created by admin on Sat Dec 16 19:07:45 GMT 2023 , Edited by admin on Sat Dec 16 19:07:45 GMT 2023
PRIMARY
PUBCHEM
3018874
Created by admin on Sat Dec 16 19:07:45 GMT 2023 , Edited by admin on Sat Dec 16 19:07:45 GMT 2023
PRIMARY
FDA UNII
CYJ7HC7LTE
Created by admin on Sat Dec 16 19:07:45 GMT 2023 , Edited by admin on Sat Dec 16 19:07:45 GMT 2023
PRIMARY
CAS
79817-53-1
Created by admin on Sat Dec 16 19:07:45 GMT 2023 , Edited by admin on Sat Dec 16 19:07:45 GMT 2023
PRIMARY